UCSF

ZINC00163628

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 13 Yes

Popular Name: 1-(4-methoxyphenyl)butan-1-one 1-(4-methoxyphenyl)butan-1-one

Find On: PubMed — Wikipedia — Google

CAS Numbers: 4160-51-4 , [4160-51-4]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.96 1.9 -7.41 0 2 0 26 178.231 4 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 124-128?/4mm Alfa-Aesar
Boiling_Point 124-128°/4mm Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )